SCHEMBL3587230

SCHEMBL3587230

COC(=O)c1ccc(C#CC2CCCC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HAO1 Q9UJM8 4/20 0.38
PRKD1 Q15139 1/20 0.38
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23899382 0.87 GRM5 (0.36) FFAR1FFAR4GRM5ALDH1A1KDM4E
SCHEMBL23899598 0.87 GRM5 (0.36) FFAR1FFAR4GRM5ALDH1A1KDM4E
SCHEMBL4509329 0.86 FFAR1 (0.43) FFAR1FFAR4GRM5ALDH1A1KDM4E
SCHEMBL3586220 0.85 FFAR1 (0.49) FFAR1FFAR4HAO1PRKD1
SCHEMBL27365315 0.81 FFAR1 (0.51) FFAR1FFAR4ALDH1A1HAO1MAPT
SCHEMBL27363242 0.80 FFAR1 (0.52) FFAR1FFAR4ALDH1A1HAO1NPSR1
SCHEMBL3584627 0.80 ABL1 (0.40) FFAR1GRM5ALDH1A1KDM4EGAA
SCHEMBL10412413 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3588327 0.79 FFAR1 (0.47) FFAR1FFAR4GRM5HAO1
SCHEMBL3596382 0.76 NR1H2 (0.40) FFAR1GRM5ALDH1A1KDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 FFAR1 223/4885FFAR4 237/4885GRM5 306/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 FFAR1 243/4885FFAR4 257/4885GRM5 278/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 FFAR1 243/4885FFAR4 257/4885GRM5 278/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.